3,6-dichloro-N-(2,2-diethyloxan-4-yl)pyridazin-4-amine

C13H19Cl2N3O — CID 83028580

IUPAC3,6-dichloro-N-(2,2-diethyloxan-4-yl)pyridazin-4-amine
SMILESCCC1(CC)CC(Nc2cc(Cl)nnc2Cl)CCO1
InChIInChI=1S/C13H19Cl2N3O/c1-3-13(4-2)8-9(5-6-19-13)16-10-7-11(14)17-18-12(10)15/h7,9H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyVKMDSSNUVPWGKO-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.93
Rot. Bonds4

About 3,6-dichloro-N-(2,2-diethyloxan-4-yl)pyridazin-4-amine

3,6-dichloro-N-(2,2-diethyloxan-4-yl)pyridazin-4-amine (PubChem CID 83028580) has the molecular formula C13H19Cl2N3O and a molecular weight of 304.22 g/mol. Its IUPAC name is 3,6-dichloro-N-(2,2-diethyloxan-4-yl)pyridazin-4-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(2,2-diethyloxan-4-yl)pyridazin-4-amine
PubChem CID83028580
Molecular FormulaC13H19Cl2N3O
Molecular Weight304.22 g/mol
Exact Mass303.09
IUPAC Name3,6-dichloro-N-(2,2-diethyloxan-4-yl)pyridazin-4-amine
SMILESCCC1(CC)CC(Nc2cc(Cl)nnc2Cl)CCO1
InChIInChI=1S/C13H19Cl2N3O/c1-3-13(4-2)8-9(5-6-19-13)16-10-7-11(14)17-18-12(10)15/h7,9H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyVKMDSSNUVPWGKO-UHFFFAOYSA-N
XLogP3.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(2,2-diethyloxan-4-yl)-4,5-dimethylpyridazin-3-amine
CID 83028987
2-chloro-4-N-(2,2-diethyloxan-4-yl)-5-methylbenzene-1,4-diamine
CID 83028148
3,5,6-trichloro-N-(2,2-diethyloxan-4-yl)pyridin-2-amine
CID 102751716
4-chloro-2-[(2,2-diethyloxan-4-yl)amino]benzenecarbothioamide
CID 83036686
5-chloro-N-(2,2-diethyloxan-4-yl)pyrimidin-2-amine
CID 82760303
1-N-(2,2-diethyloxan-4-yl)-3,5-difluorobenzene-1,2-diamine
CID 83027186
4-bromo-2-N-(2,2-diethyloxan-4-yl)benzene-1,2-diamine
CID 83027025
1-N-(2,2-diethyloxan-4-yl)-4-iodobenzene-1,2-diamine
CID 83027430
N-(2,2-diethyloxan-4-yl)-5-methylpyridazin-3-amine
CID 106549907
6-chloro-N-(2,2-diethyloxan-4-yl)-4-nitropyridin-2-amine
CID 103889061
5-chloro-N-(2,2-diethyloxan-4-yl)-2-hydrazinylpyrimidin-4-amine
CID 83039460
6-chloro-2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
CID 83037052

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2,2-diethyloxan-4-yl)pyridazin-4-amine?
The IUPAC name of 3,6-dichloro-N-(2,2-diethyloxan-4-yl)pyridazin-4-amine (CID 83028580) is 3,6-dichloro-N-(2,2-diethyloxan-4-yl)pyridazin-4-amine.
What is the SMILES notation for 3,6-dichloro-N-(2,2-diethyloxan-4-yl)pyridazin-4-amine?
The canonical SMILES for 3,6-dichloro-N-(2,2-diethyloxan-4-yl)pyridazin-4-amine is CCC1(CC)CC(Nc2cc(Cl)nnc2Cl)CCO1.
What is the InChIKey of 3,6-dichloro-N-(2,2-diethyloxan-4-yl)pyridazin-4-amine?
The InChIKey is VKMDSSNUVPWGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3O/c1-3-13(4-2)8-9(5-6-19-13)16-10-7-11(14)17-18-12(10)15/h7,9H,3-6,8H2,1-2H3,(H,16,17).
What are the key properties of 3,6-dichloro-N-(2,2-diethyloxan-4-yl)pyridazin-4-amine?
3,6-dichloro-N-(2,2-diethyloxan-4-yl)pyridazin-4-amine has a molecular weight of 304.22 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2,2-diethyloxan-4-yl)pyridazin-4-amine is sourced from PubChem (CID 83028580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).